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Benzaldehyde,3-methoxy-4-(2-methylpropoxy)-

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Name

Benzaldehyde,3-methoxy-4-(2-methylpropoxy)-

EINECS N/A
CAS No. 66488-79-7 Density 1.046 g/cm3
PSA 35.53000 LogP 2.54250
Solubility N/A Melting Point N/A
Formula C12H16O3 Boiling Point 313.5 °C at 760 mmHg
Molecular Weight 208.257 Flash Point 134.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 66488-79-7 (4-ISOBUTOXY-3-METHOXYBENZALDEHYDE) Hazard Symbols IrritantXi
Synonyms

m-Anisaldehyde,4-isobutoxy- (5CI);3-Methoxy-4-isobutoxybenzaldehyde;4-Isobutoxy-3-methoxybenzaldehyde;

Article Data 3

Benzaldehyde,3-methoxy-4-(2-methylpropoxy)- Specification

The Benzaldehyde,3-methoxy-4-(2-methylpropoxy)-, with the CAS registry number 66488-79-7, is also known as 4-Isobutoxy-3-methoxybenzaldehyde. This chemical's molecular formula is C12H16O3 and molecular weight is 208.25364. Its IUPAC name is called 3-methoxy-4-(2-methylpropoxy)benzaldehyde. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzaldehyde,3-methoxy-4-(2-methylpropoxy)-: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 3.02; (3)ACD/LogD (pH 7.4): 3.02; (4)ACD/BCF (pH 5.5): 116.63; (5)ACD/BCF (pH 7.4): 116.63; (6)ACD/KOC (pH 5.5): 1049.62; (7)ACD/KOC (pH 7.4): 1049.62; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.517; (11)Molar Refractivity: 60.21 cm3; (12)Molar Volume: 199 cm3; (13)Surface Tension: 34.5 dyne/cm; (14)Density: 1.046 g/cm3; (15)Flash Point: 134.4 °C; (16)Enthalpy of Vaporization: 55.46 kJ/mol; (17)Boiling Point: 313.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000495 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)COC1=C(C=C(C=C1)C=O)OC
(2)InChI: InChI=1S/C12H16O3/c1-9(2)8-15-11-5-4-10(7-13)6-12(11)14-3/h4-7,9H,8H2,1-3H3
(3)InChIKey: AIAGRBSXKXJZFB-UHFFFAOYSA-N

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